SCHEMBL2921701

SCHEMBL2921701

O=C(Nc1[nH]nc2c1CN(C(=O)Nc1ccccc1)C2)c1ccccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
KDM4E B2RXH2 4/20 0.49
LMNA P02545 3/20 0.49
HPGD P15428 2/20 0.49
TP53 P04637 2/20 0.49
HTT P42858 2/20 0.49
HSD17B10 Q99714 2/20 0.49
POLB P06746 4/20 0.48
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CCNA1 P78396 1/20 0.44
FAAH O00519 1/20 0.41
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
PNLIP P16233 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2918501 0.88 BDKRB1 (0.48) MEN1KMT2ALMNACCNA2CDK2
SCHEMBL2914863 0.88 CCNA2 (0.44) MEN1KMT2AKDM4EHPGDTP53
SCHEMBL2924827 0.88 NPC1 (0.47) MEN1KMT2ALMNAHPGDTP53
SCHEMBL2923092 0.88 HPGD (0.50) KMT2AHPGDHTTPOLBCCNA2
SCHEMBL2924422 0.87 GAA (0.41) MEN1KMT2AKDM4ELMNAHPGD
SCHEMBL2919266 0.86 CCNA2 (0.47) POLBCCNA2CDK2CCNA1NPC1
SCHEMBL2924668 0.86 FAAH (0.44) MEN1KMT2ACCNA2CDK2CCNA1
SCHEMBL2926047 0.86 NAMPT (0.44) MEN1KMT2AKDM4ELMNAHPGD
SCHEMBL2924078 0.85 KMT2A (0.47) MEN1KMT2AKDM4ELMNATP53
SCHEMBL2925536 0.85 CA1 (0.42) MEN1KMT2AKDM4ELMNAHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320531-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2010-09-08 EP claimed
US-7541354-B2 Bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-06-02 US claimed
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them NERVIANO MEDICAL SCIENCES S.R.L (IT) 2003-09-11 US claimed
US-8273765-B2 Bicyclo-pyrazoles and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2012-09-25 US disclosed
EP-1320531-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2010-09-08 EP disclosed
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them PFIZER ITALIA S.R.L. (IT) 2009-09-03 US disclosed
US-7541354-B2 Bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-06-02 US disclosed
US-7531531-B2 Method of treating diseases associated with altered kinase activity with bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-05-12 US disclosed
US-20070191386-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2007-08-16 US disclosed
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them NERVIANO MEDICAL SCIENCES S.R.L (IT) 2003-09-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070191386-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 MEN1 3952/4885KMT2A 2789/4885KDM4E 2358/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 MEN1 4143/4885KMT2A 3607/4885KDM4E 3487/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 MEN1 3952/4885KMT2A 2789/4885KDM4E 2358/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.